SCHEMBL14401201

SCHEMBL14401201

Cc1cc(Cl)ccc1C[C@@H](NC(=O)N1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2OCC(C)N(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 14/20 0.45
▸ ADAM17 P78536 2/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ PROKR1 Q8TCW9 2/20 0.39
▸ CCR1 P32246 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12713342 1.00 CALCA (0.45) CALCAADAM17ADAMTS5PROKR1CCR1
SCHEMBL12713317 0.92 CALCA (0.42) CALCAADAM17ADAMTS5PROKR1CCR1
SCHEMBL12713343 0.91 CALCA (0.44) CALCAPROKR1CCR1
SCHEMBL12713353 0.90 CALCA (0.45) CALCAADAM17ADAMTS5
SCHEMBL12713340 0.87 CALCA (0.46) CALCAADAM17ADAMTS5CCR1
SCHEMBL12713293 0.86 CALCA (0.46) CALCACCR1
SCHEMBL12713344 0.84 CALCA (0.45) CALCAPROKR1CCR1
SCHEMBL12713171 0.83 CALCA (0.46) CALCAADAM17ADAMTS5
SCHEMBL12713318 0.83 CALCA (0.41) CALCAADAM17ADAMTS5PROKR1CCR1
SCHEMBL12713347 0.83 CALCA (0.49) CALCACCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007115798-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-10-18 — — WO disclosed
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